2-[(4-chloro-3-methylphenyl)methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;2-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;2-[(2-fluoro-3-methylphenyl)methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-2-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,3-dihydroinden-1-one

C128H135Cl2F10N9O18 — CID 162187093

IUPAC2-[(4-chloro-3-methylphenyl)methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;2-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;2-[(2-fluoro-3-methylphenyl)methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-2-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,3-dihydroinden-1-one
SMILESCOc1cc2c(cc1N1CCOCC1)CC(Cc1cc(C)[nH]n1)C2=O.COc1cc2c(cc1N1CCOCC1)CC(Cc1ccc(C(F)(F)F)c(Cl)c1)C2=O.COc1cc2c(cc1N1CCOCC1)CC(Cc1ccc(C(F)(F)F)cc1)C2=O.COc1cc2c(cc1N1CCOCC1)CC(Cc1ccc(C(F)(F)F)nc1)C2=O.COc1cc2c(cc1N1CCOCC1)CC(Cc1ccc(Cl)c(C)c1)C2=O.COc1cc2c(cc1N1CCOCC1)CC(Cc1cccc(C)c1F)C2=O
InChIInChI=1S/C22H21ClF3NO3.C22H24ClNO3.C22H22F3NO3.C22H24FNO3.C21H21F3N2O3.C19H23N3O3/c1-29-20-12-16-14(11-19(20)27-4-6-30-7-5-27)10-15(21(16)28)8-13-2-3-17(18(23)9-13)22(24,25)26;1-14-9-15(3-4-19(14)23)10-17-11-16-12-20(24-5-7-27-8-6-24)21(26-2)13-18(16)22(17)25;1-28-20-13-18-15(12-19(20)26-6-8-29-9-7-26)11-16(21(18)27)10-14-2-4-17(5-3-14)22(23,24)25;1-14-4-3-5-15(21(14)23)10-17-11-16-12-19(24-6-8-27-9-7-24)20(26-2)13-18(16)22(17)25;1-28-18-11-16-14(10-17(18)26-4-6-29-7-5-26)9-15(20(16)27)8-13-2-3-19(25-12-13)21(22,23)24;1-12-7-15(21-20-12)9-14-8-13-10-17(22-3-5-25-6-4-22)18(24-2)11-16(13)19(14)23/h2-3,9,11-12,15H,4-8,10H2,1H3;3-4,9,12-13,17H,5-8,10-11H2,1-2H3;2-5,12-13,16H,6-11H2,1H3;3-5,12-13,17H,6-11H2,1-2H3;2-3,10-12,15H,4-9H2,1H3;7,10-11,14H,3-6,8-9H2,1-2H3,(H,20,21)
InChIKeyZPUISLSIASKNJF-UHFFFAOYSA-N
MW2348.42 g/mol
LogP22.32
Rot. Bonds24

About 2-[(4-chloro-3-methylphenyl)methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;2-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;2-[(2-fluoro-3-methylphenyl)methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-2-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,3-dihydroinden-1-one

2-[(4-chloro-3-methylphenyl)methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;2-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;2-[(2-fluoro-3-methylphenyl)methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-2-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,3-dihydroinden-1-one (PubChem CID 162187093) has the molecular formula C128H135Cl2F10N9O18 and a molecular weight of 2348.42 g/mol. Its IUPAC name is 2-[(4-chloro-3-methylphenyl)methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;2-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;2-[(2-fluoro-3-methylphenyl)methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-2-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2-[(4-chloro-3-methylphenyl)methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;2-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;2-[(2-fluoro-3-methylphenyl)methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-2-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,3-dihydroinden-1-one
PubChem CID162187093
Molecular FormulaC128H135Cl2F10N9O18
Molecular Weight2348.42 g/mol
Exact Mass2345.91
IUPAC Name2-[(4-chloro-3-methylphenyl)methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;2-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;2-[(2-fluoro-3-methylphenyl)methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-2-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,3-dihydroinden-1-one
SMILESCOc1cc2c(cc1N1CCOCC1)CC(Cc1cc(C)[nH]n1)C2=O.COc1cc2c(cc1N1CCOCC1)CC(Cc1ccc(C(F)(F)F)c(Cl)c1)C2=O.COc1cc2c(cc1N1CCOCC1)CC(Cc1ccc(C(F)(F)F)cc1)C2=O.COc1cc2c(cc1N1CCOCC1)CC(Cc1ccc(C(F)(F)F)nc1)C2=O.COc1cc2c(cc1N1CCOCC1)CC(Cc1ccc(Cl)c(C)c1)C2=O.COc1cc2c(cc1N1CCOCC1)CC(Cc1cccc(C)c1F)C2=O
InChIInChI=1S/C22H21ClF3NO3.C22H24ClNO3.C22H22F3NO3.C22H24FNO3.C21H21F3N2O3.C19H23N3O3/c1-29-20-12-16-14(11-19(20)27-4-6-30-7-5-27)10-15(21(16)28)8-13-2-3-17(18(23)9-13)22(24,25)26;1-14-9-15(3-4-19(14)23)10-17-11-16-12-20(24-5-7-27-8-6-24)21(26-2)13-18(16)22(17)25;1-28-20-13-18-15(12-19(20)26-6-8-29-9-7-26)11-16(21(18)27)10-14-2-4-17(5-3-14)22(23,24)25;1-14-4-3-5-15(21(14)23)10-17-11-16-12-19(24-6-8-27-9-7-24)20(26-2)13-18(16)22(17)25;1-28-18-11-16-14(10-17(18)26-4-6-29-7-5-26)9-15(20(16)27)8-13-2-3-19(25-12-13)21(22,23)24;1-12-7-15(21-20-12)9-14-8-13-10-17(22-3-5-25-6-4-22)18(24-2)11-16(13)19(14)23/h2-3,9,11-12,15H,4-8,10H2,1H3;3-4,9,12-13,17H,5-8,10-11H2,1-2H3;2-5,12-13,16H,6-11H2,1H3;3-5,12-13,17H,6-11H2,1-2H3;2-3,10-12,15H,4-9H2,1H3;7,10-11,14H,3-6,8-9H2,1-2H3,(H,20,21)
InChIKeyZPUISLSIASKNJF-UHFFFAOYSA-N
XLogP22.32
TPSA274.19 Ų
H-Bond Donors1
H-Bond Acceptors26
Rotatable Bonds24
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002348.42
LogP ≤ 522.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1026

Analyze 2-[(4-chloro-3-methylphenyl)methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;2-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;2-[(2-fluoro-3-methylphenyl)methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-2-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,3-dihydroinden-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-3-methylphenyl)methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;2-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;2-[(2-fluoro-3-methylphenyl)methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-2-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,3-dihydroinden-1-one?
The IUPAC name of 2-[(4-chloro-3-methylphenyl)methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;2-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;2-[(2-fluoro-3-methylphenyl)methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-2-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,3-dihydroinden-1-one (CID 162187093) is 2-[(4-chloro-3-methylphenyl)methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;2-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;2-[(2-fluoro-3-methylphenyl)methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-2-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,3-dihydroinden-1-one.
What is the SMILES notation for 2-[(4-chloro-3-methylphenyl)methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;2-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;2-[(2-fluoro-3-methylphenyl)methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-2-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,3-dihydroinden-1-one?
The canonical SMILES for 2-[(4-chloro-3-methylphenyl)methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;2-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;2-[(2-fluoro-3-methylphenyl)methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-2-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,3-dihydroinden-1-one is COc1cc2c(cc1N1CCOCC1)CC(Cc1cc(C)[nH]n1)C2=O.COc1cc2c(cc1N1CCOCC1)CC(Cc1ccc(C(F)(F)F)c(Cl)c1)C2=O.COc1cc2c(cc1N1CCOCC1)CC(Cc1ccc(C(F)(F)F)cc1)C2=O.COc1cc2c(cc1N1CCOCC1)CC(Cc1ccc(C(F)(F)F)nc1)C2=O.COc1cc2c(cc1N1CCOCC1)CC(Cc1ccc(Cl)c(C)c1)C2=O.COc1cc2c(cc1N1CCOCC1)CC(Cc1cccc(C)c1F)C2=O.
What is the InChIKey of 2-[(4-chloro-3-methylphenyl)methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;2-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;2-[(2-fluoro-3-methylphenyl)methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-2-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,3-dihydroinden-1-one?
The InChIKey is ZPUISLSIASKNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClF3NO3.C22H24ClNO3.C22H22F3NO3.C22H24FNO3.C21H21F3N2O3.C19H23N3O3/c1-29-20-12-16-14(11-19(20)27-4-6-30-7-5-27)10-15(21(16)28)8-13-2-3-17(18(23)9-13)22(24,25)26;1-14-9-15(3-4-19(14)23)10-17-11-16-12-20(24-5-7-27-8-6-24)21(26-2)13-18(16)22(17)25;1-28-20-13-18-15(12-19(20)26-6-8-29-9-7-26)11-16(21(18)27)10-14-2-4-17(5-3-14)22(23,24)25;1-14-4-3-5-15(21(14)23)10-17-11-16-12-19(24-6-8-27-9-7-24)20(26-2)13-18(16)22(17)25;1-28-18-11-16-14(10-17(18)26-4-6-29-7-5-26)9-15(20(16)27)8-13-2-3-19(25-12-13)21(22,23)24;1-12-7-15(21-20-12)9-14-8-13-10-17(22-3-5-25-6-4-22)18(24-2)11-16(13)19(14)23/h2-3,9,11-12,15H,4-8,10H2,1H3;3-4,9,12-13,17H,5-8,10-11H2,1-2H3;2-5,12-13,16H,6-11H2,1H3;3-5,12-13,17H,6-11H2,1-2H3;2-3,10-12,15H,4-9H2,1H3;7,10-11,14H,3-6,8-9H2,1-2H3,(H,20,21).
What are the key properties of 2-[(4-chloro-3-methylphenyl)methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;2-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;2-[(2-fluoro-3-methylphenyl)methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-2-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,3-dihydroinden-1-one?
2-[(4-chloro-3-methylphenyl)methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;2-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;2-[(2-fluoro-3-methylphenyl)methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-2-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,3-dihydroinden-1-one has a molecular weight of 2348.42 g/mol, XLogP of 22.32, 24 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-3-methylphenyl)methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;2-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;2-[(2-fluoro-3-methylphenyl)methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-2-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 162187093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).